Cas no 81024-58-0 (5-Butoxy-3-(butoxycarbonyl)-3-hydroxy-5-oxopentanoate)
81024-58-0 structure
Product Name:5-Butoxy-3-(butoxycarbonyl)-3-hydroxy-5-oxopentanoate
CAS No:81024-58-0
MF:C14H23O7
MW:303.328225374222
CID:2802937
Update Time:2023-08-07
5-Butoxy-3-(butoxycarbonyl)-3-hydroxy-5-oxopentanoate Chemical and Physical Properties
Names and Identifiers
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- 5-Butoxy-3-(butoxycarbonyl)-3-hydroxy-5-oxopentanoate
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- Inchi： 1S/C14H24O7/c1-3-5-7-20-12(17)10-14(19,9-11(15)16)13(18)21-8-6-4-2/h19H,3-10H2,1-2H3,(H,15,16)/p-1
- InChI Key： WBKYGCZSBGEBFP-UHFFFAOYSA-M
- SMILES： OC(C(=O)OCCCC)(CC(=O)[O-])CC(=O)OCCCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 348
- XLogP3: 1.8
- Topological Polar Surface Area: 113
5-Butoxy-3-(butoxycarbonyl)-3-hydroxy-5-oxopentanoate Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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